Wimmer, Michael and Richter, Klaus (2009) Optimal block-tridiagonalization of matrices for coherent charge transport. JOURNAL OF COMPUTATIONAL PHYSICS, 228 (23). pp. 8548-8565. ISSN 0021-9991, 1090-2716
Full text not available from this repository. (Request a copy)Abstract
Numerical quantum transport calculations are commonly based on a tight-binding formulation. A wide class of quantum transport algorithms require the tight-binding Hamiltonian to be in the form of a block-tridiagonal matrix. Here, we develop a matrix reordering algorithm based on graph partitioning techniques that yields the optimal block-tridiagonal form for quantum transport. The reordered Hamiltonian can lead to significant performance gains in transport calculations, and allows to apply conventional two-terminal algorithms to arbitrarily complex geometries, including multi-terminal structures. The block-tridiagonalization algorithm can thus be the foundation for a generic quantum transport code, applicable to arbitrary tight-binding systems. We demonstrate the power of this approach by applying the block-tridiagonalization algorithm together with the recursive Green's function algorithm to various examples of mesoscopic transport in two-dimensional electron gases in semiconductors and graphene. (C) 2009 Elsevier Inc. All rights reserved.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | SPARSE MATRICES; ANDERSON LOCALIZATION; PARALLEL COMPUTATION; ELECTRON-TRANSPORT; NUMERICAL-ANALYSIS; POINT-CONTACT; ALGORITHMS; CONDUCTIVITY; DECIMATION; GRAPHENE; Coherent quantum transport; Recursive Green's function algorithm; Block-tridiagonal matrices; Matrix reordering; Graph theory |
| Subjects: | 500 Science > 530 Physics |
| Divisions: | Physics > Institute of Theroretical Physics > Chair Professor Richter > Group Klaus Richter |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 27 Aug 2020 09:59 |
| Last Modified: | 27 Aug 2020 09:59 |
| URI: | https://pred.uni-regensburg.de/id/eprint/27983 |
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